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2013•Spectrochimica Acta Part A Molecular and Biomolecular SpectroscopyRequires access

Crystallographic, experimental (FT-IR and FT-RS) and theoretical (DFT) investigation, UV–Vis, MEP, HOMO–LUMO and NBO/NLMO of (E)-1-[1-(4-Chlorophenyl)ethylidene]thiosemicarbazide

R.R. Saravanan, S. Seshadri, S. Gunasekaran, Rafael Mendoza‐Meroño, Santiago García‐Granda

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Key concepts: Natural bond orbital, HOMO/LUMO, Density functional theory, Basis set, Molecular orbital, Chemistry, Molecule, Computational chemistry

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Crystallographic, experimental (FT-IR and FT-RS) and theoretical (DFT) investigation, UV–Vis, MEP, HOMO–LUMO and NBO/NLMO of (E)-1-[1-(4-Chlorophenyl)ethylidene]thiosemicarbazide — Research Paper | ScholarLens